N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide

C16H11F3N2O2 — CID 34303593

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
SMILESCc1nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2o1
InChIInChI=1S/C16H11F3N2O2/c1-9-20-13-8-12(5-6-14(13)23-9)21-15(22)10-3-2-4-11(7-10)16(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyYCMGPWGHCDMSPB-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.41
Rot. Bonds2

About N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide

N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide (PubChem CID 34303593) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
PubChem CID34303593
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
SMILESCc1nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2o1
InChIInChI=1S/C16H11F3N2O2/c1-9-20-13-8-12(5-6-14(13)23-9)21-15(22)10-3-2-4-11(7-10)16(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyYCMGPWGHCDMSPB-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37040498
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24612049
5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
CID 16802381
3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37021657
N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
N-dibenzofuran-3-yl-3-(trifluoromethyl)benzamide
CID 2876758
ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110388051
N-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,5-a]pyridine-7-carboxamide
CID 112525565
4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide
CID 36805707
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide (CID 34303593) is N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide is Cc1nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is YCMGPWGHCDMSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-9-20-13-8-12(5-6-14(13)23-9)21-15(22)10-3-2-4-11(7-10)16(17,18)19/h2-8H,1H3,(H,21,22).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 320.27 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 34303593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).